3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide

C8H10IN3OS — CID 166833323

IUPAC3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide
SMILES[H]/N=C(I)/C(=N\[H])C(O)c1cc(CC)sn1
InChIInChI=1S/C8H10IN3OS/c1-2-4-3-5(12-14-4)7(13)6(10)8(9)11/h3,7,10-11,13H,2H2,1H3/b10-6-,11-8-
InChIKeyAXCHFMUXYHXZIN-XNFNPUBGSA-N
MW323.16 g/mol
LogP2.17
Rot. Bonds4

About 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide

3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide (PubChem CID 166833323) has the molecular formula C8H10IN3OS and a molecular weight of 323.16 g/mol. Its IUPAC name is 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide.

Molecular Properties

Compound Name3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide
PubChem CID166833323
Molecular FormulaC8H10IN3OS
Molecular Weight323.16 g/mol
Exact Mass322.96
IUPAC Name3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide
SMILES[H]/N=C(I)/C(=N\[H])C(O)c1cc(CC)sn1
InChIInChI=1S/C8H10IN3OS/c1-2-4-3-5(12-14-4)7(13)6(10)8(9)11/h3,7,10-11,13H,2H2,1H3/b10-6-,11-8-
InChIKeyAXCHFMUXYHXZIN-XNFNPUBGSA-N
XLogP2.17
TPSA80.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide?
The IUPAC name of 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide (CID 166833323) is 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide.
What is the SMILES notation for 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide?
The canonical SMILES for 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide is [H]/N=C(I)/C(=N\[H])C(O)c1cc(CC)sn1.
What is the InChIKey of 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide?
The InChIKey is AXCHFMUXYHXZIN-XNFNPUBGSA-N. The full InChI is InChI=1S/C8H10IN3OS/c1-2-4-3-5(12-14-4)7(13)6(10)8(9)11/h3,7,10-11,13H,2H2,1H3/b10-6-,11-8-.
What are the key properties of 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide?
3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide has a molecular weight of 323.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide is sourced from PubChem (CID 166833323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).